#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrp s LYS 2 N 0.00 3.36 0.19 0.00 2.20 -1.25 -2.09 119.74 122.15 1zrp s LYS 2 Ca 0.00 -0.68 0.07 0.00 -0.36 0.00 0.00 55.97 54.99 1zrp s LYS 2 Cb 0.00 -2.63 -0.04 0.00 -1.51 0.00 0.00 37.83 33.65 1zrp s LYS 2 CO 0.00 0.23 0.07 -1.58 -0.36 0.00 0.00 175.35 173.71 1zrp s TRP 3 N 0.31 2.97 0.10 4.03 0.52 0.18 -2.04 118.94 125.01 1zrp s TRP 3 Ca -0.10 -0.10 0.09 0.00 0.02 0.00 0.00 56.10 56.01 1zrp s TRP 3 Cb -0.16 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 1zrp s TRP 3 CO 0.06 0.53 -0.22 0.54 0.02 0.00 0.00 176.95 177.88 1zrp s VAL 4 N -1.82 1.78 -0.41 4.03 0.11 0.17 0.58 120.40 124.85 1zrp s VAL 4 Ca 0.30 -1.56 -0.26 0.00 -2.93 0.00 0.00 61.98 57.52 1zrp s VAL 4 Cb -0.09 -1.61 0.02 0.00 -1.53 0.00 0.00 36.38 33.17 1zrp s VAL 4 CO 0.21 -0.03 0.97 0.00 -3.33 0.00 0.00 175.10 172.91 1zrp h LYS 6 N 8.73 0.00 0.00 0.00 3.64 -1.72 -1.90 116.57 125.32 1zrp h LYS 6 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1zrp h LYS 6 Cb 1.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1zrp h LYS 6 CO 1.02 0.07 0.00 -0.89 -2.27 0.00 0.00 179.45 177.38 1zrp n ILE 7 N -3.47 0.00 -0.01 2.00 5.41 -1.26 -4.63 119.36 117.39 1zrp n ILE 7 Ca -0.02 0.74 -0.08 0.00 1.00 0.00 0.00 62.75 64.39 1zrp n ILE 7 Cb 0.21 -1.70 -0.14 0.00 -0.71 0.00 0.00 39.64 37.30 1zrp n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1zrp n GLY 9 N 1.53 1.43 3.90 0.00 0.00 -0.72 -5.10 105.19 106.24 1zrp n GLY 9 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1zrp n GLY 9 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1zrp s TYR 10 N -2.00 2.98 0.02 1.61 5.04 -1.24 -4.88 117.35 118.88 1zrp s TYR 10 Ca 0.00 0.72 0.02 0.00 -2.44 0.00 0.00 57.07 55.37 1zrp s TYR 10 Cb 0.00 -3.41 -0.02 0.00 0.35 0.00 0.00 41.96 38.89 1zrp s TYR 10 CO 0.00 -1.66 -0.08 0.42 -1.34 0.00 0.00 175.55 172.89 1zrp s ILE 11 N -3.50 0.57 -0.16 3.14 1.09 -1.26 0.58 121.20 121.66 1zrp s ILE 11 Ca 0.61 -0.76 -0.04 0.00 -1.10 0.00 0.00 60.65 59.37 1zrp s ILE 11 Cb -0.11 -0.57 -0.03 0.00 -1.06 0.00 0.00 42.46 40.70 1zrp s ILE 11 CO 0.48 -0.15 -0.03 -0.47 -0.10 0.00 0.00 174.94 174.67 1zrp s TYR 12 N -0.85 3.03 -0.28 3.97 5.04 0.20 -4.93 117.35 123.53 1zrp s TYR 12 Ca -0.04 -0.29 -0.02 0.00 -2.44 0.00 0.00 57.07 54.27 1zrp s TYR 12 Cb -0.07 -1.97 0.04 0.00 0.35 0.00 0.00 41.96 40.31 1zrp s TYR 12 CO 0.00 -0.04 -0.01 0.34 -1.34 0.00 0.00 175.55 174.50 1zrp s ASP 13 N 0.39 4.71 0.36 4.32 2.15 -1.26 0.51 116.67 127.85 1zrp s ASP 13 Ca -0.04 -1.05 0.11 0.00 0.43 0.00 0.00 52.55 52.00 1zrp s ASP 13 Cb -0.14 -1.72 0.70 0.00 -0.30 0.00 0.00 42.92 41.46 1zrp s ASP 13 CO 0.03 -0.20 1.83 -0.33 -0.17 0.00 0.00 175.17 176.32 1zrp h GLU 14 N 8.04 0.11 0.00 4.34 5.08 -1.69 0.40 114.58 130.87 1zrp h GLU 14 Ca -0.27 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1zrp h GLU 14 Cb 1.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1zrp h GLU 14 CO 0.56 0.41 -0.31 0.22 -1.00 0.00 0.00 179.01 178.89 1zrp h ASP 15 N 0.10 0.00 0.11 1.42 1.82 -1.80 -1.16 116.42 116.90 1zrp h ASP 15 Ca 0.01 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.35 1zrp h ASP 15 Cb 0.60 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.56 1zrp h ASP 15 CO 0.04 0.31 -2.20 0.00 -1.61 0.00 0.00 179.24 175.79 1zrp n ALA 16 N -2.32 1.67 0.00 -0.78 0.00 -0.47 -4.01 120.51 114.61 1zrp n ALA 16 Ca -0.01 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1zrp n ALA 16 Cb 0.43 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1zrp n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zrp n GLY 17 N 1.65 -1.83 2.45 0.00 0.00 0.13 -4.24 105.19 103.35 1zrp n GLY 17 Ca -0.26 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 1zrp n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zrp n ASP 18 N 0.23 0.82 0.26 1.61 2.03 -0.80 -4.62 116.55 116.08 1zrp n ASP 18 Ca 0.00 -2.88 0.13 0.00 0.52 0.00 0.00 54.79 52.56 1zrp n ASP 18 Cb 0.00 -0.38 0.70 0.00 -0.72 0.00 0.00 41.12 40.73 1zrp n ASP 18 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1zrp h PRO 19 N 2.95 0.00 0.00 -0.67 0.11 -1.74 0.61 132.00 133.26 1zrp h PRO 19 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1zrp h PRO 19 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1zrp h PRO 19 CO 0.45 0.00 0.00 0.22 -0.21 0.00 0.00 178.00 178.46 1zrp h ASP 20 N 0.00 0.00 0.00 -2.05 1.82 -1.93 -1.88 116.42 112.38 1zrp h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1zrp h ASP 20 Cb 0.48 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1zrp h ASP 20 CO 0.00 0.00 -0.16 0.59 -1.61 0.00 0.00 179.24 178.06 1zrp n ASN 21 N -2.63 1.50 -1.44 2.28 3.02 0.20 -5.00 115.26 113.18 1zrp n ASN 21 Ca 0.03 -2.62 -0.04 0.00 -0.03 0.00 0.00 54.58 51.92 1zrp n ASN 21 Cb 0.37 -0.32 0.02 0.00 -0.61 0.00 0.00 39.78 39.24 1zrp n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zrp n GLY 22 N -0.88 0.35 3.25 7.41 0.00 -0.20 -5.05 105.19 110.07 1zrp n GLY 22 Ca 0.09 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1zrp n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zrp s ILE 23 N -3.08 2.57 0.24 -0.61 1.09 -0.56 -4.91 121.20 115.94 1zrp s ILE 23 Ca 0.03 -0.80 -0.26 0.00 -1.10 0.00 0.00 60.65 58.52 1zrp s ILE 23 Cb -0.01 -2.08 -0.09 0.00 -1.06 0.00 0.00 42.46 39.22 1zrp s ILE 23 CO 0.16 0.52 0.86 -0.55 -0.10 0.00 0.00 174.94 175.83 1zrp s SER 24 N 0.81 7.41 -0.85 3.58 0.15 -1.26 -1.91 113.70 121.62 1zrp s SER 24 Ca -0.06 1.76 -0.21 0.00 0.70 0.00 0.00 55.95 58.15 1zrp s SER 24 Cb -0.15 -2.54 -0.20 0.00 -1.71 0.00 0.00 66.02 61.41 1zrp s SER 24 CO -0.00 0.10 2.29 -0.81 1.20 0.00 0.00 173.24 176.02 1zrp n PRO 25 N 1.16 0.36 0.00 5.44 -0.04 -1.26 -0.98 135.00 139.68 1zrp n PRO 25 Ca -0.02 -0.64 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1zrp n PRO 25 Cb 0.49 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 1zrp n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1zrp n GLY 26 N 6.35 0.54 3.84 0.55 0.00 -0.45 -4.91 105.19 111.11 1zrp n GLY 26 Ca 0.52 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 1zrp n GLY 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1zrp s THR 27 N -0.64 3.51 0.30 2.61 2.01 -0.15 -4.97 115.64 118.31 1zrp s THR 27 Ca 0.00 0.49 0.08 0.00 0.31 0.00 0.00 61.69 62.57 1zrp s THR 27 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 1zrp s THR 27 CO 0.00 -0.64 0.17 -0.54 -0.69 0.00 0.00 174.62 172.91 1zrp s LYS 28 N -5.23 2.62 0.02 4.92 -0.14 -1.26 -4.55 119.74 116.12 1zrp s LYS 28 Ca 0.59 -1.30 -0.16 0.00 -1.36 0.00 0.00 55.97 53.74 1zrp s LYS 28 Cb -0.13 -2.37 -0.09 0.00 -1.68 0.00 0.00 37.83 33.57 1zrp s LYS 28 CO 0.53 0.25 1.14 0.35 -0.76 0.00 0.00 175.35 176.86 1zrp h PHE 29 N 1.53 -0.52 0.00 3.18 3.57 -1.97 0.28 116.94 123.01 1zrp h PHE 29 Ca -0.46 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1zrp h PHE 29 Cb 1.25 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1zrp h PHE 29 CO 0.59 -0.33 0.00 -1.91 -2.23 0.00 0.00 178.31 174.44 1zrp n GLU 30 N -3.64 0.95 -0.54 1.11 0.00 -1.26 0.58 120.64 117.84 1zrp n GLU 30 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.17 1zrp n GLU 30 Cb 0.22 -1.17 0.29 0.00 0.00 0.00 0.00 31.44 30.78 1zrp n GLU 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1zrp n GLU 31 N -0.67 3.34 -2.11 5.31 0.00 -0.27 -4.97 120.64 121.27 1zrp n GLU 31 Ca 0.08 -2.92 -0.28 0.00 0.00 0.00 0.00 57.16 54.04 1zrp n GLU 31 Cb 0.04 -1.94 0.06 0.00 0.00 0.00 0.00 31.44 29.59 1zrp n GLU 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1zrp s LEU 32 N -2.82 2.88 0.60 4.31 1.43 0.20 -4.47 118.68 120.81 1zrp s LEU 32 Ca 0.45 0.77 -0.18 0.00 -1.03 0.00 0.00 54.13 54.14 1zrp s LEU 32 Cb 0.36 -3.47 -0.10 0.00 0.03 0.00 0.00 46.19 43.01 1zrp s LEU 32 CO 0.10 -1.45 0.31 -0.81 0.23 0.00 0.00 176.35 174.73 1zrp n PRO 33 N -2.94 0.32 -0.11 1.29 -0.04 -1.26 -4.88 135.00 127.38 1zrp n PRO 33 Ca 0.07 0.13 -0.09 0.00 -0.04 0.00 0.00 63.50 63.57 1zrp n PRO 33 Cb 0.59 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 1zrp n PRO 33 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1zrp h ASP 34 N 0.02 0.45 -0.66 3.54 3.32 -1.98 -2.36 116.42 118.74 1zrp h ASP 34 Ca -0.44 -0.09 -0.21 0.00 0.02 0.00 0.00 57.03 56.31 1zrp h ASP 34 Cb 1.40 -0.11 -0.13 0.00 0.22 0.00 0.00 39.33 40.71 1zrp h ASP 34 CO 0.44 0.41 0.23 -0.67 -1.72 0.00 0.00 179.24 177.93 1zrp n ASP 35 N -4.77 4.39 -4.73 6.45 -0.08 -1.26 -4.96 116.55 111.59 1zrp n ASP 35 Ca -0.01 -3.29 -0.42 0.00 -1.51 0.00 0.00 54.79 49.56 1zrp n ASP 35 Cb 0.08 -0.72 -0.02 0.00 2.34 0.00 0.00 41.12 42.79 1zrp n ASP 35 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1zrp s TRP 36 N -3.03 2.90 0.27 -0.67 -0.00 -0.89 -4.86 118.94 112.66 1zrp s TRP 36 Ca 0.53 0.67 0.03 0.00 -0.00 0.00 0.00 56.10 57.33 1zrp s TRP 36 Cb 0.43 -4.02 -0.03 0.00 -0.00 0.00 0.00 33.47 29.85 1zrp s TRP 36 CO 0.11 -3.59 0.22 0.14 -0.00 0.00 0.00 176.95 173.83 1zrp s VAL 37 N 0.55 0.00 -0.02 5.86 -7.23 -1.26 -1.65 120.40 116.66 1zrp s VAL 37 Ca 0.67 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 1zrp s VAL 37 Cb -0.46 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 1zrp s VAL 37 CO 0.39 0.00 1.40 0.00 -0.31 0.00 0.00 175.10 176.58 1zrp h PRO 39 N 7.94 0.00 0.00 0.00 0.11 -1.98 -1.63 132.00 136.44 1zrp h PRO 39 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1zrp h PRO 39 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1zrp h PRO 39 CO 0.91 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.81 1zrp n ILE 40 N -3.20 0.00 0.18 4.15 -0.00 -1.26 -4.85 119.36 114.38 1zrp n ILE 40 Ca -0.00 0.00 0.10 0.00 -0.00 0.00 0.00 62.75 62.84 1zrp n ILE 40 Cb 0.34 -0.77 0.11 0.00 -0.00 0.00 0.00 39.64 39.32 1zrp n ILE 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1zrp n GLY 42 N 1.14 0.97 3.81 0.00 0.00 -0.62 -4.99 105.19 105.51 1zrp n GLY 42 Ca 0.03 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 1zrp n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zrp s ALA 43 N -2.52 3.67 0.88 4.61 0.00 -1.26 -4.63 121.76 122.53 1zrp s ALA 43 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 1zrp s ALA 43 Cb 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 1zrp s ALA 43 CO 0.00 0.61 0.29 -2.30 0.00 0.00 0.00 175.76 174.37 1zrp n PRO 44 N 1.98 -0.08 0.04 0.00 -0.02 -1.26 0.59 135.00 136.25 1zrp n PRO 44 Ca -0.19 0.02 0.03 0.00 -2.02 0.00 0.00 63.50 61.34 1zrp n PRO 44 Cb 0.54 -1.74 0.17 0.00 -0.02 0.00 0.00 33.50 32.45 1zrp n PRO 44 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1zrp n LYS 45 N -0.90 0.03 -0.30 -0.52 -0.00 -0.66 -1.84 118.16 113.98 1zrp n LYS 45 Ca 0.07 0.50 -0.05 0.00 -0.00 0.00 0.00 58.31 58.83 1zrp n LYS 45 Cb 0.53 -1.61 0.07 0.00 -0.00 0.00 0.00 35.03 34.02 1zrp n LYS 45 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1zrp h SER 46 N 0.00 1.03 -0.40 -5.58 4.64 -1.87 0.11 113.55 111.48 1zrp h SER 46 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1zrp h SER 46 Cb 0.03 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.86 1zrp h SER 46 CO 0.00 0.84 0.00 1.21 -0.87 0.00 0.00 176.83 178.01 1zrp n GLU 47 N -4.39 3.28 -3.09 4.77 4.07 -0.77 -4.65 120.64 119.86 1zrp n GLU 47 Ca 0.08 -2.02 -0.45 0.00 -0.06 0.00 0.00 57.16 54.72 1zrp n GLU 47 Cb 0.10 -1.88 -0.04 0.00 -0.06 0.00 0.00 31.44 29.56 1zrp n GLU 47 CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1zrp s PHE 48 N -2.00 2.98 1.07 4.31 0.40 0.02 -2.19 117.98 122.58 1zrp s PHE 48 Ca 0.35 -0.96 -0.17 0.00 -0.60 0.00 0.00 56.93 55.56 1zrp s PHE 48 Cb 0.25 -4.04 0.23 0.00 0.51 0.00 0.00 43.02 39.97 1zrp s PHE 48 CO 0.13 -1.33 1.18 -2.00 0.70 0.00 0.00 175.22 173.90 1zrp s GLU 49 N 2.76 -0.19 -0.09 0.44 2.56 0.20 -4.79 118.70 119.59 1zrp s GLU 49 Ca 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 54.97 55.00 1zrp s GLU 49 Cb -0.23 -1.72 -0.03 0.00 2.00 0.00 0.00 34.13 34.15 1zrp s GLU 49 CO 0.06 -3.03 -0.00 0.15 -0.56 0.00 0.00 175.26 171.88 1zrp s LYS 50 N -5.51 2.99 -0.16 4.30 3.01 -1.26 0.46 119.74 123.57 1zrp s LYS 50 Ca 0.70 -0.41 0.17 0.00 -1.01 0.00 0.00 55.97 55.42 1zrp s LYS 50 Cb -0.09 -2.79 0.77 0.00 -1.01 0.00 0.00 37.83 34.71 1zrp s LYS 50 CO 0.55 0.69 1.69 -0.11 0.51 0.00 0.00 175.35 178.68 1zrp n LEU 51 N 2.17 5.20 0.00 3.17 7.94 -0.86 -4.84 117.00 129.79 1zrp n LEU 51 Ca -0.19 -2.63 0.00 0.00 -1.11 0.00 0.00 56.01 52.08 1zrp n LEU 51 Cb 0.54 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.86 1zrp n LEU 51 CO 0.28 0.75 0.00 -0.62 -1.11 0.00 0.00 177.39 176.69 1zrp n GLU 52 N 0.97 0.00 0.00 1.96 -0.58 -1.26 -4.94 120.64 116.80 1zrp n GLU 52 Ca 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1zrp n GLU 52 Cb 1.02 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.89 1zrp n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40